9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione

C23H23ClN2O4 — CID 54673291

IUPAC9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
SMILESCOc1cc2c3c(c(=O)n(CCCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O
InChIInChI=1S/C23H23ClN2O4/c1-25(2)8-5-9-26-17-12-19(30-4)18(29-3)11-16(17)20-21(23(26)28)14-7-6-13(24)10-15(14)22(20)27/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyPNHAQIXSHGTBSW-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.84
Rot. Bonds6

About 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione

9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione (PubChem CID 54673291) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione.

Molecular Properties

Compound Name9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
PubChem CID54673291
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
SMILESCOc1cc2c3c(c(=O)n(CCCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O
InChIInChI=1S/C23H23ClN2O4/c1-25(2)8-5-9-26-17-12-19(30-4)18(29-3)11-16(17)20-21(23(26)28)14-7-6-13(24)10-15(14)22(20)27/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyPNHAQIXSHGTBSW-UHFFFAOYSA-N
XLogP3.84
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The IUPAC name of 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione (CID 54673291) is 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione.
What is the SMILES notation for 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The canonical SMILES for 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione is COc1cc2c3c(c(=O)n(CCCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O.
What is the InChIKey of 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The InChIKey is PNHAQIXSHGTBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-25(2)8-5-9-26-17-12-19(30-4)18(29-3)11-16(17)20-21(23(26)28)14-7-6-13(24)10-15(14)22(20)27/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione has a molecular weight of 426.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione is sourced from PubChem (CID 54673291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).